SCHEMBL506958

SCHEMBL506958

NCc1ccc(C(=O)NCCc2ccncc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
RAB9A P51151 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
NPC1 O15118 3/20 0.71
MCHR1 Q99705 1/20 0.66
NAMPT P43490 3/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ESRRG P62508 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14547371 0.86 HDAC2 (0.75) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL13766510 0.85 RAB9A (0.76) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL5729004 0.84 HDAC2 (0.71) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL13211715 0.83 RAB9A (1.00) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL506616 0.83 NAMPT (0.67) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL4354272 0.83 RAB9A (0.88) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL15652432 0.81 HDAC6 (0.71) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL28919396 0.81 RAB9A (0.78) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL13762096 0.81 RAB9A (0.74) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2
SCHEMBL1568051 0.80 RAB9A (0.72) HDAC6HDAC2HDAC8RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC6 1861/4885HDAC2 1169/4885HDAC8 1964/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC6 2510/4885HDAC2 3135/4885HDAC8 3914/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.